Computer Cluster for Research on Complex Ferroelectrics
Abstract
Abstract Program manager: Dr. Wallace Smith, O ce of Naval Research, Materials Division The purchase of a computer cluster is requested, in order to interface with, and upgrade, existing facilities that are available for research and research-related education of the currently funded ONR N00014-12-1-1034 award. The research objectives are to (1) resolve complex phenomena in perovskites; (2) design ferroelectrics with optimized properties; and (3) discover novel phenomena of fundamental and technological importance in perovskites and related compounds. This program is highly relevant to national defense since U.S. NAVY sonar-listening devices are made of ferroelectrics and since optimized properties are requirements for the new generation of communication devices. All these objectives will be achieved thanks to the use of the following ab-initio numerical tools: (i) rst-principles techniques; (ii) e ective Hamiltonian approaches that extend the reach of rst-principles calculations by mimicking solid solutions and complex dielectric response, at nite temperature; and (iii) the inverse method that allows an e cient design of materials. Collaborations with well-known international experimental research groups are also strengthened. Various e ects are going to be investigated, including (1) the identi cation of the origin of the puzzling dielectric behavior in Pb(Mg1=3Nb2=3)O3 relaxor; (2) the determination of the dynamical signatures of the polar nanodomains in Ba(Zr1??xTix)O3; (3) a deep microscopic insight into the PbZrO3 antiferroelectric material; (4) the optimization of the dielectric loss and tunability in (Ba,Sr)TiO3; (5) the search for new crystallographic structures and new phases in ABO3 materials; and (6) the discovery of a material having the real part of its dielectric susceptibility and the real part of its magnetic susceptibility being both negative within a frequency window. An unprecedented knowledge of ferroelectrics will be gained and discovery of wunderbar" materials will occur. This research program is integrated into the educational experience of UA graduate students. 1
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Aug 12, 2016
- Source ID
- N000141512881
Entities
People
- Laurent Bellaiche
Organizations
- Office of Naval Research
- United States Navy
- University of Arkansas System